HRID678285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID712

Formaldehyde

CH2O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID70017

Diphenylphosphine

C12H11P

HCID87780

Silane, trioctyl-

C24H52Si

HCID105144

Palladium(2+)

Pd+2

结构：CCCc1cc(Oc2ccc(Cl)cc2)ccc1OS(=O)(=O)C(F)(F)F

HCID57420139

未命名化合物

PRODUCTS

生成物

HCID57420143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e73805da6cfe457f8414dd6fc36df7a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:71]=[O:72].[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH2:26]([SiH:27]([CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH2:51]([N:52]([CH2:53][CH3:54])[CH2:55][CH3:56])[CH3:57].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([CH2:21][CH2:22][CH3:23])[cH:9][c:10]([O:13][c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:11][cH:12]1)(=[O:24])=[O:25].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:84].[Pd+2:89].[c:58]1([PH:59][c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[c:7]1([CH:74]=[O:73])[c:8]([CH2:21][CH2:22][CH3:23])[cH:9][c:10]([O:13][c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:11][cH:12]1